4-[[2-(2-azanylethyl)benzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-(2-azanylethyl)benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-(2-aminoethyl)benzimidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-(2-aminoethyl)-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-(2-aminoethyl)benzimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-(2-aminoethyl)benzimidazol-1-yl]methyl]benzoic acid Formula: C17H17N3O2 MolecularWeight: 295.33578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)C(=O)O)CCN

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)C(=O)O)CCN

InChI

InChI=1S/C17H17N3O2/c18-10-9-16-19-14-3-1-2-4-15(14)20(16)11-12-5-7-13(8-6-12)17(21)22/h1-8H,9-11,18H2,(H,21,22)